SCHEMBL1698406

SCHEMBL1698406

c1cc2c(c(N3CCNCC3)n1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
DRD2 P14416 8/20 0.47
HTR2A P28223 8/20 0.47
DRD3 P35462 8/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL322004 0.76 HTR2C (0.49) HTR2CDRD2HTR2ADRD3
SCHEMBL1698462 0.74 DRD2 (0.48) HTR2CDRD2HTR2ADRD3
SCHEMBL5368588 0.72 ADRB1 (0.65) DRD2HTR2ADRD3
SCHEMBL1698905 0.72 DRD2 (0.71) DRD2HTR2ADRD3
SCHEMBL1698913 0.71 DRD2 (0.70) DRD2HTR2ADRD3
SCHEMBL31354869 0.71 HTR2C (0.48) HTR2CHTR2A
Hydrochloric Acid SCHEMBL27237927 0.71 ADRB1 (0.63) DRD2HTR2ADRD3
SCHEMBL1698465 0.71 DRD2 (0.48) HTR2CDRD2HTR2ADRD3
SCHEMBL12074824 0.70 DRD2 (0.71) DRD2HTR2ADRD3
SCHEMBL14874310 0.70 DRD2 (0.71) DRD2HTR2ADRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8586579-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A HTR2C 10/4885DRD2 78/4885HTR2A 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.